Atomic model

Atom map Solvent mask

Fcalc_omit Fmask_omit

Fmodel_omit=ktotal*(Fcalc_omit+kmask*Fmask_omit)

Atom map(omit)

Solvent mask(omit)

Fobs

Atom map Solvent mask

Fdiff = (mFobs-DFmodel_omit, ϕmodel)/ktotal

Momit = FT(Fdiff)

Empty omit map-result

Extract box: Momit -> boxand put it into map-result

Box to omit

1. Initialization

2. Compute Fmodel scales

3. Iterations over boxes

Atom map Solvent mask

Fcalc Fmask

Σ(Fmodel-Fobs)2->min

Fmodel=ktotal*(Fcalc+kmask*Fmask)

ktotal, kmask